Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D01LOU
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| Former ID |
DNC004463
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| Drug Name |
4-Imidazol-1-ylmethyl-1-nitro-xanthen-9-one
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| Synonyms |
aromatase inhibitor i; CHEMBL159073; 4-(Imidazolylmethyl)-1-nitro-9H-9-xanthenone; 4-Imidazol-1-ylmethyl-1-nitro-xanthen-9-one; AC1L1D8C; CTK5I3006; BDBM50097366; 4-(imidazol-1-ylmethyl)-1-nitroxanthen-9-one; 4-(1H-imidazol-1-ylmethyl)-1-nitro-9H-xanthen-9-one; 4-((1H-imidazol-1-yl)methyl)-1-nitro-9H-xanthen-9-one; 1-Nitro-4-(1H-imidazole-1-ylmethyl)-9H-xanthene-9-one
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C17H11N3O4
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)CN4C=CN=C4)[N+](=O)[O-]
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| InChI |
1S/C17H11N3O4/c21-16-12-3-1-2-4-14(12)24-17-11(9-19-8-7-18-10-19)5-6-13(15(16)17)20(22)23/h1-8,10H,9H2
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| InChIKey |
JLTNBMDVMUSXHQ-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of steroid hormone biosynthesis | |||
| Estradiol biosynthesis II | ||||
| Estradiol biosynthesis I | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolic pathways | ||||
| Ovarian steroidogenesis | ||||
| NetPath Pathway | FSH Signaling Pathway | |||
| Panther Pathway | Androgen/estrogene/progesterone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Reactome | Endogenous sterols | |||
| WikiPathways | Metapathway biotransformation | |||
| Tryptophan metabolism | ||||
| Oxidation by Cytochrome P450 | ||||
| Ovarian Infertility Genes | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| FSH signaling pathway | ||||
| Integrated Breast Cancer Pathway | ||||
| Phase 1 - Functionalization of compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80. | |||
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